N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C24H27F2N9 — CID 135202520

IUPACN-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nnn(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C24H27F2N9/c1-14(2)35-20-11-16(10-17(25)23(20)32-33-35)22-18(26)12-28-24(31-22)30-21-5-4-15-13-34(9-7-27-3)8-6-19(15)29-21/h4-5,10-12,14,27H,6-9,13H2,1-3H3,(H,28,29,30,31)
InChIKeyAVIBWOLWKHNZNT-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.46
Rot. Bonds7

About N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 135202520) has the molecular formula C24H27F2N9 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID135202520
Molecular FormulaC24H27F2N9
Molecular Weight479.54 g/mol
Exact Mass479.24
IUPAC NameN-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nnn(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C24H27F2N9/c1-14(2)35-20-11-16(10-17(25)23(20)32-33-35)22-18(26)12-28-24(31-22)30-21-5-4-15-13-34(9-7-27-3)8-6-19(15)29-21/h4-5,10-12,14,27H,6-9,13H2,1-3H3,(H,28,29,30,31)
InChIKeyAVIBWOLWKHNZNT-UHFFFAOYSA-N
XLogP3.46
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 135202520) is N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is CNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nnn(C(C)C)c5c4)n3)ccc2C1.
What is the InChIKey of N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is AVIBWOLWKHNZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N9/c1-14(2)35-20-11-16(10-17(25)23(20)32-33-35)22-18(26)12-28-24(31-22)30-21-5-4-15-13-34(9-7-27-3)8-6-19(15)29-21/h4-5,10-12,14,27H,6-9,13H2,1-3H3,(H,28,29,30,31).
What are the key properties of N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 479.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 135202520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).